SCHEMBL278484

SCHEMBL278484

CN1C2CCC1CC(C)(O)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
SLC6A2 P23975 3/20 0.41
HSD11B1 P28845 1/20 0.39
AR P10275 3/20 0.35
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4743604 0.81 LMNA (0.46) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL22098680 0.78 HSD11B1 (0.36) LMNACYP2C9HSD11B1AR
SCHEMBL8079753 0.78 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14298073 0.78 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL16474011 0.77 HSD11B1 (0.38) HSD11B1AR
SCHEMBL14608744 0.77 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL967308 0.77 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL26409360 0.77 FFAR3 (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL2087447 0.74 LMNA (0.39) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL26044406 0.74 LMNA (0.39) LMNACYP2C9SLC6A4SLC6A3SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-13 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-7585877-B2 Aminophenyl derivatives as selective androgen receptor modulators ACADIA PHARMACEUTICALS, INC. 2009-09-08 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 LMNA 2295/4885CYP2C9 3559/4885SLC6A4 2089/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA LMNA 2903/4885CYP2C9 888/4885SLC6A4 2497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.